Modulation of the Octahedral Structure and Potential Superconductivity of La${}_3$Ni${}_2$O${}_7$ through Strain Engineering

Abstract

The recent transport measurement of La${}_3$Ni${}_2$O${}_7$ uncover a "right-triangle" shape of the superconducting dome in the pressure-temperature (P-T) phase diagram. Motivated by this, we perform theoretical first-principles studies of La${}_3$Ni${}_2$O${}_7$ with the pressure ranging from 0 to 100 GPa. Notably, we reveal a pressure dependence of the Ni-$d_{z^2}$ electron density at the Fermi energy ($n_z^{EF}$) that highly coincides with such shape. On this basis, we further explore the electronic structure under uniaxial stress. By tracking the stress response of $n_z^{EF}$, we propose that superconductivity can be achieved by applying only about 2 GPa of compression along the c axis. The idea is further exemplified from the perspectives of lattice distortion, band structure, Fermi surface and superconducting phase coherence. We also discuss the possible charge modulation under the stress and provide an insight to the relation between n_z^EF and the superconducting Tc in La${}_3$Ni${}_2$O${}_7$ system. Our study provides a helpful guide to the future experiment.

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Cited by in corpus (12)

• Theory of Pressure Dependence of Superconductivity in Bilayer Nickelate La${}_3$Ni${}_2$O${}_7$
• Strain-tuning for superconductivity in La${}_3$Ni${}_2$O${}_7$ thin films
• Band Structure and Pairing Nature of La${}_3$Ni${}_2$O${}_7$ Thin Film at Ambient Pressure
• Effective perpendicular electric field as a probe for interlayer pairing in ambient-pressure superconducting La${}_{2.85}$Pr${}_{0.15}$Ni${}_2$O${}_7$ thin films
• First-principles study on Pr-doped Bilayer Nickelate La3Ni2O7
• Strain-Engineered Electronic Structure and Superconductivity in La${}_3$Ni${}_2$O${}_7$ Thin Films
• Spin excitations in bilayer La${}_3$Ni${}_2$O${}_7$ superconductors with the interlayer pairing
• Fermi surface reconstruction and enhanced spin fluctuations in strained La${}_3$Ni${}_2$O${}_7$ on LaAlO${}_3$(001) and SrTiO${}_3$(001)
• Electronic reconstruction and interface engineering of emergent spin fluctuations in compressively strained La${}_3$Ni${}_2$O${}_7$ on SrLaAlO${}_4$(001)
• Pairing mechanism and superconductivity in pressurized La${}_5$Ni${}_3$O${}_{11}$
• Spin Fluctuations in the Rare-Earth Doped Bilayer Nickelates
• Magnetically Mediated Cross-Layer Pairing in Pressurized Trilayer Nickelate La${}_4$Ni${}_3$O${}_{10}$